Ceftriaxone

Ceftriaxone

SCHEMBL15475285

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1.O.O.O.[NaH]

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Ceftriaxone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.78
PGR P06401 2/20 0.78
PPARG P37231 2/20 0.78
SLC22A6 Q4U2R8 2/20 0.78
SLC22A8 Q8TCC7 2/20 0.78
SLC22A11 Q9NSA0 2/20 0.78
DAO P14920 1/20 0.78
SNCA P37840 1/20 0.78
CYP2J2 P51589 1/20 0.78
TDP1 Q9NUW8 6/20 0.77
MAPT P10636 5/20 0.77
ABCC4 O15439 2/20 0.77
APEX1 P27695 3/20 0.76
HSD17B10 Q99714 3/20 0.76
ALDH1A1 P00352 2/20 0.76
POLB P06746 2/20 0.76
RECQL P46063 2/20 0.76
CYP2D6 P10635 1/20 0.76
KDM4E B2RXH2 1/20 0.76
BLM P54132 1/20 0.76

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ceftriaxone SCHEMBL22635993 0.99 NR1I2 (0.79) NR1I2PGRPPARGSLC22A6SLC22A8
Ceftriaxone SCHEMBL150106 0.99 NR1I2 (0.79) NR1I2PGRPPARGSLC22A6SLC22A8
Ceftriaxone SCHEMBL40849 0.99 NR1I2 (0.79) NR1I2PGRPPARGSLC22A6SLC22A8
Ceftriaxone SCHEMBL8378294 0.99 NR1I2 (0.80) NR1I2PGRPPARGSLC22A6SLC22A8
Ceftriaxone SCHEMBL2224183 0.99 NR1I2 (0.80) NR1I2PGRPPARGSLC22A6SLC22A8
Ceftriaxone SCHEMBL23354 0.99 NR1I2 (0.80) NR1I2PGRPPARGSLC22A6SLC22A8
Ceftriaxone SCHEMBL2006478 0.99 NR1I2 (0.80) NR1I2PGRPPARGSLC22A6SLC22A8
Ceftriaxone SCHEMBL4897101 0.99 NR1I2 (0.80) NR1I2PGRPPARGSLC22A6SLC22A8
Ceftriaxone SCHEMBL30307091 0.99 NR1I2 (0.80) NR1I2PGRPPARGSLC22A6SLC22A8
Ceftriaxone SCHEMBL2006477 0.99 NR1I2 (0.80) NR1I2PGRPPARGSLC22A6SLC22A8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180042899-A1 Method of Treating Transplant Rejection and Autoimmune Diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-15 US disclosed
US-20140050694-A1 Method of Treating Transplant Rejection and Autoimmune Diseases WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-02-20 US disclosed